ID: 80977
SMILES:c1c(C)c(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -16.571
InChIKey:TUIFRPSNLLPPJE-UHFFFAOYSA-N
ID: 80978
SMILES:C1C(C(C)(C)O)Oc2c(c(O)cc(CCCCC)c2)C1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.011
InChIKey:CVPNPKJBYAVQCY-UHFFFAOYSA-N
ID: 80979
SMILES:CC1CC2C(C(C)(C)Oc3cc(CCCCC)cc(OS(O)(=O)=O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.549
CB1 binding score: -16.232
InChIKey:XHWSONHJBZKGDU-UHFFFAOYSA-N
ID: 80980
SMILES:C(=O)C1CCC2C(C)(C)Oc3c(c(CCCCC)cc(O)c3)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.502
InChIKey:GSLSNBXUBAMMJR-UHFFFAOYSA-N
ID: 80981
SMILES:C1C2=CC(=O)CC(C(C)C)C2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: Not available
InChIKey:LJAVBCNVPMHTEJ-UHFFFAOYSA-N
ID: 80982
SMILES:C1(C(C)=C)CCC(C)C=C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.816
InChIKey:XCVYBASXVCEZLB-UHFFFAOYSA-N
ID: 80983
SMILES:C(CN)c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CCC1C(C)(C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 359.51
CB1 binding score: -14.465
InChIKey:LSMXWEHHMNWLRU-UHFFFAOYSA-N
ID: 80984
SMILES:CC1(C)C2C(c3c(c(CC=C(C)CCC=C(C)C)c(CCCCC)cc3O)O2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -14.606
InChIKey:RWQZKYWSSONNGF-UHFFFAOYSA-N
ID: 80985
SMILES:c1(O)c(CC=C(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 80986
SMILES:C1(O)(C)CCCC1C(C)=CC(CC(=CCc1c(OC)c(C)cc(OC)c1)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -13.573
InChIKey:UBTMAQMVEKPAMQ-UHFFFAOYSA-N
ID: 80987
SMILES:OC12C(C(C)(C)Oc3c1c(O)cc(C(C=C)(C)CCCC(C)C)c3)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -11.215
InChIKey:KHNBRADGRXKXKZ-UHFFFAOYSA-N
ID: 80988
SMILES:Oc1c(C(C(C)C)CC)cc(C(O)=O)c(C2C(C(=C)C)CCC(C)=C2)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.88
InChIKey:VNIDMXWVPLDRCB-UHFFFAOYSA-N
ID: 80989
SMILES:C(=O)(OCC1=CC2c3c(cc(CCCCC)c(O)c3O)OC(C)C2CC1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.304
InChIKey:XJHYWACLEJOFEK-UHFFFAOYSA-N
ID: 80990
SMILES:c1(CCc2ccccc2)cc2c(cc1O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 348.486
CB1 binding score: -15.743
InChIKey:DQPIJSFIWTUUDT-UHFFFAOYSA-N
ID: 80991
SMILES:C(CCCCCCCCCCC(OCc1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)cc1)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.662
CB1 binding score: -15.081
InChIKey:OWZCNAAORNZOQW-UHFFFAOYSA-N
ID: 80992
SMILES:c1c(O)c(C)cc2c1C(C)(C)Oc1cc3c(c(O)c12)C=CC(C)(CCC1C(C)(C)OC(C)(C)C(O)CC1)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.682
CB1 binding score: -17.422
InChIKey:AYLZIENFICLCFM-UHFFFAOYSA-N
ID: 80993
SMILES:C1(C)(C)C2(O)C3(C(OC(=O)C)CC1C)Oc1c(c(O)cc(CCC)c1)C3OC(=O)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.486
CB1 binding score: -15.442
InChIKey:FYOXFKIWGWAMOW-UHFFFAOYSA-N
ID: 80994
SMILES:C1(COC(C)=O)=CC(OC(=O)C(=CC)C)C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.632
CB1 binding score: -11.27
InChIKey:YZIGYRAHRNALOH-UHFFFAOYSA-N
ID: 80995
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 80996
SMILES:O=C1C(O)C2C3(C(C=CC2)C(c2c(O)cc(CCCCC)cc2OC)O3)CO1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -17.518
InChIKey:GXKFRWSHPRKYBK-UHFFFAOYSA-N
ID: 80997
SMILES:CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C(=O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.097
InChIKey:LFYISXBYBFHJME-UHFFFAOYSA-N